NEAMS Workbench #85

zhieejhia93 · 2023-01-04T20:37:38Z

Description

This MR allows WATTS to be run with NEAMS Workbench

Fixes # (84)

Checklist:

My code follows the style guidelines
I have performed a self-review of my own code
I have made corresponding changes to the documentation (if applicable)
I have added tests that prove my fix is effective or that my feature works (if applicable)
I have updated the CHANGELOG.md file (if applicable)
I have successfully run examples that may be affected by my changes

Wb input

nstauff · 2023-01-06T19:49:13Z

doc/source/user/workbench.rst

+In the list of `Application Options`, input the path of `watts_ui.py` to `Executable`.
+The file should exist by default in `/watts/src/watt_ui/`. Next, click `Load Grammar`.
+Click `OK` to complete the setup.
+


the setup worked great - very straightforward.

nstauff · 2023-01-06T19:57:45Z

examples/1App_OpenMC_VHTR/watts_comprehensive.son

+watts{
+    % Change the working directory to the directory where the input files are stored. This is necessary
+    % due to how WATTS copies input files to the temporary working directory.
+    workflow_dir = "/Users/zhieejhiaooi/Documents/ANL/watts-devel/watts/examples/1App_OpenMC_VHTR"


I don't think providing this link should be necessary! the Python script should know the path to this input already.

Removed workflow_dir

nstauff · 2023-01-06T19:58:25Z

scripts/setup_openmc.sh

@@ -0,0 +1,86 @@
+#!/bin/bash
+########################################################################


I like how this file does everything for you. Great job setting it up!

nstauff · 2023-01-06T19:59:31Z

src/watts_ui/etc/templates/watts.tmpl

@@ -0,0 +1,8 @@
+watts{


We need to develop additional templates - for variables, for plugin, etc.

Developed templates for variables, plugins, workflow_level1, etc.

nstauff · 2023-01-06T20:01:01Z

src/watts_ui/watts_ui.py

+# chmod 777 watts_ui.py
+# execute with command: `python watts_ui.py -i examples/watts_comprehensive.son`
+###
+


these comments can be removed now!

nstauff · 2023-01-06T20:36:20Z

src/watts_ui/etc/watts.sch

+            MaxOccurs=NoLimit
+        }
+        postprocessors{
+            Description = "[optional] postprocessor "


comment out

nstauff · 2023-01-06T20:37:14Z

src/watts_ui/etc/watts.sch

+        }
+    }
+    workflow_dir{
+            Description = "[Required] Workflow directory: Dir where all files are located in. Necessary if have multiple input files."


I don't understand why this option is required.

Removedworkflow_dir

nstauff · 2023-01-06T20:42:03Z

src/watts_ui/watts_ui.py

+    else:
+        watts_params, app_result = run_direct(
+            watts_params, watts_plugins[plugin_ID])
+


in the run_direct - there may be ambiguity on the orders of the different plugins. I am not sure Workbench will return you the plugin in a given order. We may ask a user to provide some ordering for the workflow to clarify the order the different plugins needs execution such as: plugin(1)=ID1

The code now determines the sequence of plugin based on the order. For example, if we have

plugin = ID1
plugin = ID2

The code will run ID1 first then ID2.

nstauff · 2023-01-06T20:43:57Z

src/watts_ui/watts_ui.py

+            show_stdout=plugin['show_stdout'],
+            show_stderr=plugin['show_stderr'])
+
+    elif plugin['code'].upper() == 'OPENMC':


We need to provide documentation in WATTS developers on how they can add their plugin information to watts_ui. This needs to be done in schema and here (at minimum). I recommend providing this in contributing.rst file

Updated contributing.rst to include instructions on how to add new plugin to watts_ui.py and watts.sch

nstauff · 2023-01-06T20:46:23Z

src/watts_ui/watts_ui.py

+
+    # Store output data from app_result to watts_params
+    # Special treatment for OpenMC
+    if plugin['code'].upper() == 'OPENMC':


could this be moved above to have a 'post-run' logic added in plugin specification? I will need to do the same for PyARC.

We decided to disregard this in the last meeting.

paulromano

I haven't done a full review yet but I do have two high-level design questions/comments:

It seems to me that much of the code in watts_ui belongs in workbench rather in watts. Would it make more sense to try to get this code merged upstream in workbench?
As is, it seems like this functionality only works if you have cloned/downloaded the watts repo. For someone who just runs pip install watts, there's no way they would have access to this functionality.

doc/source/user/workbench.rst

zhieejhia93 · 2023-01-13T13:32:10Z

@paulromano Thanks for the comments.

@nstauff Do you think we should have a meeting to talk about Paul's suggestion on getting the code merged upstream in Workbench? Thanks.

nstauff · 2023-01-13T14:13:36Z

Thanks @paulromano - good comment that pip install won't enable this capability. I had not realized this.
@zhieejhia93 - Having watts_ui directly developed within Workbench could be possible I think (and beneficial as we can streamline all the installation steps) - we need to have a meeting with Rob Lefebvre to discuss it. We would need however to setup a new open-source license for watts_ui.

nstauff · 2023-01-13T14:42:42Z

scripts/setup_conda_wb.sh

+fi
+
+mkdir bin
+ln -s $workbench_path/bin/sonvalidxml bin/sonvalidxml


this will crash if we already have bin there - which will be the case if we are updating workbench install.

Allowed transfer to skip if bin already exists

nstauff · 2023-01-13T14:42:55Z

scripts/setup_conda_wb.sh

+    printf "${RED}ERROR: wasppy already exists in $current_path.${NC}\n"
+    exit 1
+fi
+ln -s $workbench_path/wasppy ./


this will crash if we already have wasppy there - which will be the case if we are updating workbench install.

Allowed transfer to skip ifwasppy already exists

zhieejhia93 · 2023-01-19T01:40:02Z

@nstauff There's one thing that I forgot to mention in our meeting. If you set up Workbench according to the instructions, there might be several examples cases that you will not be able to run. This is because currently we directly install WATTS into Workbench using pip, which has WATTS v0.4.0. Since then, some changes have been made to WATTS that supports an executable argument that allows executable to be specified directly. I didn't want to develop watts_ui.py based on an outdated version of WATTS so for some examples where executable is provided directly, you will run into errors if you try to run them.

As a temporary workaround, you can copy the files in the src/watts directory from WATTS to /Applications/Workbench-5.0.1.app/Contents/rte/conda/lib/python3.8/site-packages/watts and replace the existing files. This is a temporary workaround that is only intended for internal use and testing. Once the latest version of WATTS is available on pip this step will not be necessary anymore.

nstauff · 2023-01-19T01:48:06Z

Thanks @zhieejhia93 ! Let's discuss at next week's meeting if we could get a new WATTS release soon to address this issue.

Stauff and others added 17 commits November 11, 2022 16:14

initial watts input structure and logic for extracting it

ec4b451

add fix and additional logic to extract results

ccafae0

renamed GUI

02a7498

minor documentation updates

14f047e

updating input and logic

3edd695

Merge pull request #4 from nstauff/wb_input

ec8b6fe

Wb input

Created initial WB workflow

7e983aa

Added run for all apps. Added examples.

b71c8e2

Added PyARC example

98a7476

Added RELAP5 example

fe294b0

Merge branch 'watts-dev:development' into workbench

5334fb6

Added WATTS conda set up in Workbench

72ac4f9

Updated documentations for Workbench

043e314

Combined examples directory.

dc27ddb

Moved examples

68e7ffe

Merge branch 'watts-dev:development' into workbench

d722a62

Updated CHANGELOG.md

b8f9d93

zhieejhia93 requested a review from nstauff January 4, 2023 20:37

nstauff requested changes Jan 6, 2023

View reviewed changes

nstauff and others added 2 commits January 11, 2023 13:15

added a few templates and modified schema accordingly.

4ae5ad7

Addressed reviewer comments

6dd0eb4

paulromano requested changes Jan 13, 2023

View reviewed changes

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nstauff reviewed Jan 13, 2023

View reviewed changes

nstauff and others added 2 commits January 18, 2023 15:42

added a few templates and modified schema accordingly.

193c444

Addressed reviewers comments

50abc5e

zhieejhia93 force-pushed the workbench branch from f2fcc1f to 50abc5e Compare January 18, 2023 21:45

address some merging conflicts

0d09d32

Provide feedback

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NEAMS Workbench #85

NEAMS Workbench #85

zhieejhia93 commented Jan 4, 2023 •

edited by paulromano

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nstauff commented Jan 19, 2023

		@@ -0,0 +1,86 @@
		#!/bin/bash
		########################################################################

NEAMS Workbench #85

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NEAMS Workbench #85

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zhieejhia93 commented Jan 4, 2023 • edited by paulromano Loading

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zhieejhia93 commented Jan 19, 2023

nstauff commented Jan 19, 2023

zhieejhia93 commented Jan 4, 2023 •

edited by paulromano

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